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Crystal Structure
Example) Calculate silicon density. Lattice constant is 5.43 Angstrom.
Figure 1. Diamond structure
Sol)
ρ =
8×
1
8
+6×
1
2
+4×1
#
$
%
&
'
(×28.086 u
atomic mass
!
5.43×10−10
( )
3
=
8×28.086×1.67×10−27
5.431×10−10
( )
3
= 2342.38kg
m3
(1)
Number density
8 atoms
5.431×10−8
( )
3
cm3
~ 5×1022 atoms
cm3 (2)
Liedemann model (melting)
Melting occurs when amplitude of vibrations exceeds critical fraction of interatomic
spacing
1
2
gx0
2
= kB
Tm
(3)
Tm: melting temperature. g as force constant.
Let x0 as βa where a is the lattice constant. Typical number of β (critical fraction) in
solid is 1/7.
x0
= βa (4)
Tm
=
1
2
gx0
2
k B
=
1
2
E ⋅ a⋅ x0
2
k B
=
1
2
E ⋅ a3
⋅β2
k B
(5)
where E is an elastic modulus of a solid.

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Crystal structure note

  • 1. - 1 - Crystal Structure Example) Calculate silicon density. Lattice constant is 5.43 Angstrom. Figure 1. Diamond structure Sol) ρ = 8× 1 8 +6× 1 2 +4×1 # $ % & ' (×28.086 u atomic mass ! 5.43×10−10 ( ) 3 = 8×28.086×1.67×10−27 5.431×10−10 ( ) 3 = 2342.38kg m3 (1) Number density 8 atoms 5.431×10−8 ( ) 3 cm3 ~ 5×1022 atoms cm3 (2) Liedemann model (melting) Melting occurs when amplitude of vibrations exceeds critical fraction of interatomic spacing 1 2 gx0 2 = kB Tm (3) Tm: melting temperature. g as force constant. Let x0 as βa where a is the lattice constant. Typical number of β (critical fraction) in solid is 1/7. x0 = βa (4) Tm = 1 2 gx0 2 k B = 1 2 E ⋅ a⋅ x0 2 k B = 1 2 E ⋅ a3 ⋅β2 k B (5) where E is an elastic modulus of a solid.